Name: product
SMILES:
Cc1c(C2NS(=O)(=O)c3ccccc32)c2ccccc2n1CC(=O)OC(C)(C)CMolecular Processing
Molecular formula
C22H24N2O4S
Molecular weight
412.51
Exact mass
412.1457
XLogP
3.67
TPSA
77.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
111.13
Supplementary Information
Details werden geladen…
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